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DocumentationIdentifier: MM83089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83089 |
| SMILES |
COCCC(F)COC=O
|
| InChIKey |
LBRNNUFPRUKXKC-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165740
Similarity: 0.8049
Similarity to MM165740
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8939 |
| Dice metric | 0.8919 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112698
Similarity: 0.7722
Similarity to MM112698
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162071
Similarity: 0.6939
Similarity to MM162071
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8193 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
